N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(2-oxopiperidin-1-yl)acetamide

C18H27N3O2 — CID 78866546

IUPACN-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(2-oxopiperidin-1-yl)acetamide
SMILESCCN(c1ccc(NC(=O)CN2CCCCC2=O)cc1)C(C)C
InChIInChI=1S/C18H27N3O2/c1-4-21(14(2)3)16-10-8-15(9-11-16)19-17(22)13-20-12-6-5-7-18(20)23/h8-11,14H,4-7,12-13H2,1-3H3,(H,19,22)
InChIKeyRMXBLLDFVIPRCM-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.87
Rot. Bonds6

About N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(2-oxopiperidin-1-yl)acetamide

N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(2-oxopiperidin-1-yl)acetamide (PubChem CID 78866546) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(2-oxopiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(2-oxopiperidin-1-yl)acetamide
PubChem CID78866546
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(2-oxopiperidin-1-yl)acetamide
SMILESCCN(c1ccc(NC(=O)CN2CCCCC2=O)cc1)C(C)C
InChIInChI=1S/C18H27N3O2/c1-4-21(14(2)3)16-10-8-15(9-11-16)19-17(22)13-20-12-6-5-7-18(20)23/h8-11,14H,4-7,12-13H2,1-3H3,(H,19,22)
InChIKeyRMXBLLDFVIPRCM-UHFFFAOYSA-N
XLogP2.87
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2104267
4-[[2-(2-oxopiperidin-1-yl)acetyl]amino]benzamide
CID 110689860
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(propan-2-ylamino)acetamide
CID 60641040
2-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2404780
N-[4-[ethyl(propan-2-yl)amino]phenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 78807951
3-[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 2521570
2-(2-oxopiperidin-1-yl)-N-propan-2-ylacetamide
CID 110689762
methyl N-[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl]carbamate
CID 51088000
methyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate
CID 9068811
2-(3,4-dichlorophenyl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 7892153
ethyl (E)-3-[4-[[2-(2-oxopiperidin-1-yl)acetyl]amino]phenyl]prop-2-enoate
CID 78860990
3-[[4-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzoyl]amino]propanoic acid
CID 119222971

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(2-oxopiperidin-1-yl)acetamide?
The IUPAC name of N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(2-oxopiperidin-1-yl)acetamide (CID 78866546) is N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(2-oxopiperidin-1-yl)acetamide.
What is the SMILES notation for N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(2-oxopiperidin-1-yl)acetamide?
The canonical SMILES for N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(2-oxopiperidin-1-yl)acetamide is CCN(c1ccc(NC(=O)CN2CCCCC2=O)cc1)C(C)C.
What is the InChIKey of N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(2-oxopiperidin-1-yl)acetamide?
The InChIKey is RMXBLLDFVIPRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-4-21(14(2)3)16-10-8-15(9-11-16)19-17(22)13-20-12-6-5-7-18(20)23/h8-11,14H,4-7,12-13H2,1-3H3,(H,19,22).
What are the key properties of N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(2-oxopiperidin-1-yl)acetamide?
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(2-oxopiperidin-1-yl)acetamide has a molecular weight of 317.43 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(2-oxopiperidin-1-yl)acetamide is sourced from PubChem (CID 78866546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).